# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5c5f24e9-d2a8-46fe-b8ce-ca9d283f0c50/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Sr2B2O5 / P2_1/c (14) / materials id 5401](https://mdr.nims.go.jp/datasets/f55c61e7-53c8-4cc7-b397-5b565493383a) ## Fulltext elements: [B, O, Sr]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [10.81, 16.0, 87.62]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [-9.929243634317034e+00, -6.325308745174277e-01, -2.352960322091729e+01, 2.506304448185181e+00, 2.656659721861889e+00, 1.120237280598634e+03, -9.319309251860765e+04, 8.686633822848187e+02, -1.051366932475889e+05, -1.560079340422708e-02, 1.160533904642671e+03, 9.085469866978165e+01, 4.338701455516533e+02, 1.499590487065454e+06, 2.358160548729919e+04, 0.000000000000000e+00, -1.789895812098809e+03, 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